Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50171356'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50171356 (6-(2,3,4-Trimethoxy-phenyl)-8H-indeno[1,2-d]thiazo...) Show SMILES COc1ccc(-c2ccc-3c(Cc4sc([NH3+])nc-34)c2)c(OC)c1OC Show InChI InChI=1S/C19H18N2O3S/c1-22-14-7-6-13(17(23-2)18(14)24-3)10-4-5-12-11(8-10)9-15-16(12)21-19(20)25-15/h4-8H,9H2,1-3H3,(H2,20,21)/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Antagonist activity against adenosine A1 receptor				J Med Chem 48: 5131-9 (2005) Article DOI: 10.1021/jm049132j BindingDB Entry DOI: 10.7270/Q28W3F3X
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